N-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide

C13H24N4O2S — CID 56745535

IUPACN-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
SMILESCc1ncc(CN2CCCC(CCNS(C)(=O)=O)C2)[nH]1
InChIInChI=1S/C13H24N4O2S/c1-11-14-8-13(16-11)10-17-7-3-4-12(9-17)5-6-15-20(2,18)19/h8,12,15H,3-7,9-10H2,1-2H3,(H,14,16)
InChIKeyQPIDPLUEPXTJJH-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.87
Rot. Bonds6

About N-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide

N-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide (PubChem CID 56745535) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
PubChem CID56745535
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
SMILESCc1ncc(CN2CCCC(CCNS(C)(=O)=O)C2)[nH]1
InChIInChI=1S/C13H24N4O2S/c1-11-14-8-13(16-11)10-17-7-3-4-12(9-17)5-6-15-20(2,18)19/h8,12,15H,3-7,9-10H2,1-2H3,(H,14,16)
InChIKeyQPIDPLUEPXTJJH-UHFFFAOYSA-N
XLogP0.87
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Ethanesulfonyl)-3-{[5-methyl-1-(propan-2-YL)-1H-imidazol-2-YL]methyl}piperidine
CID 91911696
4-[(5-Methyl-1-propylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine
CID 91923934
3-[(1-isopropyl-5-methyl-1H-imidazol-2-yl)methyl]-1-(methylsulfonyl)piperidine
CID 110203839
3-[(5-Methyl-1-propyl-1H-imidazol-2-YL)methyl]-1-(propane-1-sulfonyl)piperidine
CID 124052992
1-Methanesulfonyl-3-[(5-methyl-1-propyl-1H-imidazol-2-YL)methyl]piperidine
CID 124052995
1-(1H-imidazol-4-ylmethyl)-4-[1-(1-pyrrolidinyl)ethyl]piperidine
CID 70717894
N,N-dimethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-sulfonamide
CID 72120340
(1R*,5R*)-6-[(2-butyl-1H-imidazol-4-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133122776
1-(2-methylpropanesulfonyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 132380170
1-[(1-methylcyclopropyl)sulfonyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 132386119
1-propylsulfonyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 71997400
1-(2-methylsulfonylethyl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 121534772

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide (CID 56745535) is N-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide is Cc1ncc(CN2CCCC(CCNS(C)(=O)=O)C2)[nH]1.
What is the InChIKey of N-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
The InChIKey is QPIDPLUEPXTJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11-14-8-13(16-11)10-17-7-3-4-12(9-17)5-6-15-20(2,18)19/h8,12,15H,3-7,9-10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
N-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 56745535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).